1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone

C12H21NO — CID 59400951

IUPAC1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone
SMILESCC(=O)C1C2CCCCC(CC2)N1C
InChIInChI=1S/C12H21NO/c1-9(14)12-10-5-3-4-6-11(8-7-10)13(12)2/h10-12H,3-8H2,1-2H3
InChIKeySDCLGANEMYXRNZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds1

About 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone

1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone (PubChem CID 59400951) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone
PubChem CID59400951
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone
SMILESCC(=O)C1C2CCCCC(CC2)N1C
InChIInChI=1S/C12H21NO/c1-9(14)12-10-5-3-4-6-11(8-7-10)13(12)2/h10-12H,3-8H2,1-2H3
InChIKeySDCLGANEMYXRNZ-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone?
The IUPAC name of 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone (CID 59400951) is 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone?
The canonical SMILES for 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone is CC(=O)C1C2CCCCC(CC2)N1C.
What is the InChIKey of 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone?
The InChIKey is SDCLGANEMYXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(14)12-10-5-3-4-6-11(8-7-10)13(12)2/h10-12H,3-8H2,1-2H3.
What are the key properties of 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone?
1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone is sourced from PubChem (CID 59400951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).